Home Halogens 2-(chloromethyl)-1lambda6-thiolane-1,1-dione

2-(chloromethyl)-1lambda6-thiolane-1,1-dione

CAS No.:
58474-58-1
Catalog Number:
AG01B55K
Molecular Formula:
C5H9ClO2S
Molecular Weight:
168.6418
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Product Description
Catalog Number:
AG01B55K
Chemical Name:
2-(chloromethyl)-1lambda6-thiolane-1,1-dione
CAS Number:
58474-58-1
Molecular Formula:
C5H9ClO2S
Molecular Weight:
168.6418
MDL Number:
MFCD19232806
IUPAC Name:
2-(chloromethyl)thiolane 1,1-dioxide
InChI:
InChI=1S/C5H9ClO2S/c6-4-5-2-1-3-9(5,7)8/h5H,1-4H2
InChI Key:
LODJXYRWLRCSQQ-UHFFFAOYSA-N
SMILES:
ClCC1CCCS1(=O)=O
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.001g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.635g/mol
Monoisotopic Mass:
168.001g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties